(2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol

C14H21F3N2O2 — CID 69148012

IUPAC(2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNCCOCC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c15-14(16,17)10-21-7-6-19-9-13(20)12(18)8-11-4-2-1-3-5-11/h1-5,12-13,19-20H,6-10,18H2/t12-,13+/m0/s1
InChIKeyDRBUQOKGNDWHND-QWHCGFSZSA-N
MW306.33 g/mol
LogP1.09
Rot. Bonds9

About (2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol

(2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol (PubChem CID 69148012) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol
PubChem CID69148012
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name(2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNCCOCC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c15-14(16,17)10-21-7-6-19-9-13(20)12(18)8-11-4-2-1-3-5-11/h1-5,12-13,19-20H,6-10,18H2/t12-,13+/m0/s1
InChIKeyDRBUQOKGNDWHND-QWHCGFSZSA-N
XLogP1.09
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol?
The IUPAC name of (2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol (CID 69148012) is (2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol is N[C@@H](Cc1ccccc1)[C@H](O)CNCCOCC(F)(F)F.
What is the InChIKey of (2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol?
The InChIKey is DRBUQOKGNDWHND-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c15-14(16,17)10-21-7-6-19-9-13(20)12(18)8-11-4-2-1-3-5-11/h1-5,12-13,19-20H,6-10,18H2/t12-,13+/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol?
(2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol has a molecular weight of 306.33 g/mol, XLogP of 1.09, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-phenyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol is sourced from PubChem (CID 69148012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).